LAMMPS (27 Nov 2018)
  using 1 OpenMP thread(s) per MPI task
# 2d circle of particles inside a box with LJ walls

variable        b index 0

variable	x index 50
variable	y index 20
variable	d index 20
variable	v index 5
variable	w index 2

units		lj
dimension       2
atom_style	atomic
boundary        f f p

lattice		hex 0.85
Lattice spacing in x,y,z = 1.16553 2.01877 1.16553
region		box block 0 $x 0 $y -0.5 0.5
region		box block 0 50 0 $y -0.5 0.5
region		box block 0 50 0 20 -0.5 0.5
create_box	1 box
Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767)
  2 by 1 by 1 MPI processor grid
region		circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
region		circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
region		circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
region		circle sphere 11 6.7735026918962581988 0.0 10
create_atoms	1 region circle
Created 361 atoms
  Time spent = 0.000478506 secs
mass		1 1.0

velocity	all create 0.5 87287 loop geom
velocity        all set $v $w 0 sum yes
velocity        all set 5 $w 0 sum yes
velocity        all set 5 2 0 sum yes

pair_style	lj/cut 2.5
pair_coeff	1 1 10.0 1.0 2.5

neighbor	0.3 bin
neigh_modify	delay 0 every 1 check yes

fix		1 all nve

fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5
fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5

comm_style      tiled
fix             10 all balance 50 0.9 rcb

#compute         1 all property/atom proc
#variable        p atom c_1%10
#dump            2 all custom 50 tmp.dump id v_p x y z

#dump            3 all image 50 image.*.jpg v_p type #                adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
#variable        colors string #                "red green blue yellow white #                purple pink orange lime gray"
#dump_modify     3 pad 5 amap 0 10 sa 1 10 ${colors}

thermo_style    custom step temp epair press f_10[3] f_10
thermo          100

run		10000
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 2.8
  ghost atom cutoff = 2.8
  binsize = 1.4, bins = 42 29 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair lj/cut, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/2d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.061 | 3.065 | 3.07 Mbytes
Step Temp E_pair Press f_10[3] f_10 
       0    25.701528   -29.143179   -1.2407285            2    1.0193906 
     100    26.269576   -29.713313    7.9052334    1.1135734    1.0027701 
     200    26.368336   -29.809962    1.6412462    1.0803324    1.0027701 
     300    26.479082   -29.920083    2.3678653    1.1578947    1.0083102 
     400    26.522239   -29.965537    6.6787858    1.1578947    1.0083102 
     500    25.725591   -29.168034   0.67065285    1.1024931    1.0083102 
     600    26.247693   -29.692706    7.9887712    1.1301939    1.0027701 
     700    26.237368   -29.676926    1.5987214    1.1578947    1.0027701 
     800    25.889643   -29.431589    4.6160859    1.1523546    1.0027701 
     900    23.635295   -27.372963     9.029962    1.1468144    1.0027701 
    1000    22.571904    -25.87422    1.8936085    1.1191136    1.0083102 
    1100    17.493795   -21.447274     9.502619    1.0747922    1.0027701 
    1200    17.214459   -20.726965    6.3578919    1.0193906    1.0083102 
    1300    16.424217   -19.757401    3.9026861    1.0083102    1.0027701 
    1400    15.051731    -18.13464    1.7558146    1.0249307    1.0027701 
    1500    13.966718   -17.051915    1.4843674    1.0470914    1.0027701 
    1600    13.615641   -16.582695    1.7845355    1.0415512    1.0027701 
    1700    13.278822   -16.278248    1.8263176    1.0470914    1.0083102 
    1800    12.680841    -15.81089    2.0096239    1.0415512    1.0027701 
    1900    12.039167    -14.99225    1.4379549    1.0360111    1.0027701 
    2000    12.298923   -15.188233    1.6287319    1.0249307    1.0027701 
    2100    12.048347   -14.947484    1.0583787    1.0304709    1.0027701 
    2200    12.024664    -14.91864    1.0617555    1.0304709    1.0027701 
    2300    11.878263   -14.769923    1.2892425    1.0360111    1.0027701 
    2400    11.578448   -14.525725    1.2925126    1.0083102    1.0027701 
    2500    11.948793   -14.736647    1.5473169    1.0249307    1.0027701 
    2600    11.933924   -14.725605    1.3673896    1.0249307    1.0027701 
    2700    11.622855   -14.414518    1.3035925    1.0304709    1.0083102 
    2800    10.600538   -13.451379    1.3422508    1.0138504    1.0027701 
    2900    10.404739   -13.242902    1.3070821    1.0083102    1.0027701 
    3000     10.73199    -13.60699   0.92518136    1.0138504    1.0027701 
    3100    10.807664   -13.624775    1.3037969    1.0193906    1.0027701 
    3200    10.393964   -13.212022   0.72081929    1.0027701    1.0027701 
    3300    9.8733371    -12.65719    1.1606833    1.0138504    1.0027701 
    3400    9.6206594   -12.349773   0.69859994    1.0138504    1.0027701 
    3500    9.5882688    -12.32291    1.0028888    1.0138504    1.0027701 
    3600     9.693129   -12.441628   0.94751509    1.0193906    1.0083102 
    3700    9.3727837   -12.162354    1.9639195    1.0027701    1.0027701 
    3800    9.1011581   -11.860999    1.0253876    1.0083102    1.0027701 
    3900    8.6637799    -11.44226    1.4848652    1.0027701    1.0027701 
    4000    9.0454579   -11.770928   0.82719098    1.0083102    1.0083102 
    4100    8.5574492    -11.30614   0.82422479    1.0193906    1.0027701 
    4200    8.5903538   -11.322978   0.45091349    1.0027701    1.0027701 
    4300     8.540208   -11.282844   0.55403945    1.0027701    1.0027701 
    4400    7.7043293   -10.372194   0.80170046    1.0027701    1.0027701 
    4500    7.3429905   -9.9970461   0.77097228    1.0193906    1.0027701 
    4600      7.35485   -9.9992837   0.66531873    1.0027701    1.0027701 
    4700    7.3278467   -9.9885021   0.99577458    1.0193906    1.0027701 
    4800    7.8179777   -10.468758   0.56434522    1.0138504    1.0083102 
    4900     7.571002   -10.215558   0.81064116    1.0138504    1.0027701 
    5000    7.5326417   -10.224594   0.86387082    1.0083102    1.0027701 
    5100    7.8120521   -10.468885   0.86739094    1.0027701    1.0027701 
    5200    7.2949975   -10.041278    1.0298349    1.0027701    1.0027701 
    5300    7.6564811   -10.297993   0.71060925    1.0027701    1.0083102 
    5400    7.7359804   -10.373635   0.61872932    1.0027701    1.0083102 
    5500    7.6511513   -10.279058   0.87569767    1.0027701    1.0027701 
    5600    7.2927879   -9.9378811    1.1573049    1.0083102    1.0083102 
    5700    7.1836162   -9.8357325   0.43012076    1.0083102    1.0083102 
    5800    7.3405818   -9.9780947   0.69346928    1.0083102    1.0027701 
    5900    7.6636501   -10.323536   0.82554433    1.0027701    1.0027701 
    6000    7.3515582   -9.9803466      1.09521    1.0138504    1.0027701 
    6100    7.0275875   -9.6739554   0.48460922    1.0027701    1.0027701 
    6200    7.1449226   -9.7541904   0.83007096    1.0193906    1.0083102 
    6300     7.036185   -9.6445595    1.0982599    1.0193906    1.0027701 
    6400    7.1288989   -9.7501637    1.0103414    1.0138504    1.0027701 
    6500    6.6559525    -9.256798   0.58741228    1.0027701    1.0027701 
    6600    7.0559949   -9.6563848   0.53504661    1.0027701    1.0027701 
    6700     7.124289   -9.7613906   0.70816625    1.0027701    1.0027701 
    6800    7.0141849   -9.6298357   0.55987809    1.0083102    1.0027701 
    6900    6.8617323   -9.4376408   0.62371253    1.0193906    1.0083102 
    7000    6.7496366   -9.3379578   0.83540012    1.0027701    1.0083102 
    7100    7.0418565    -9.664915   0.68231111    1.0083102    1.0027701 
    7200    6.6175362   -9.2066737   0.31371885    1.0138504    1.0027701 
    7300     7.076179   -9.6917457    1.0827515    1.0083102    1.0027701 
    7400    6.5263123   -9.1321276    1.1892921    1.0027701    1.0027701 
    7500    6.8072952   -9.3976358   0.60458526    1.0138504    1.0027701 
    7600     6.610006   -9.1934492   0.54359615    1.0193906    1.0027701 
    7700    6.3533198    -8.943515   0.91970357    1.0138504    1.0027701 
    7800    6.7226774   -9.3164434   0.81151352    1.0027701    1.0083102 
    7900    6.2329222   -8.8531998   0.59439797    1.0083102    1.0027701 
    8000    6.5818943   -9.2025911   0.66303132    1.0083102    1.0027701 
    8100     6.372739   -8.9403406   0.81325975    1.0138504    1.0027701 
    8200     6.462003   -9.0346265   0.54917879    1.0083102    1.0027701 
    8300    6.5947825   -9.2171877    0.9005455    1.0027701    1.0027701 
    8400    6.7803374   -9.4179158   0.37270772    1.0027701    1.0027701 
    8500    6.7122886   -9.3363107   0.77011047    1.0083102    1.0027701 
    8600    6.8286386   -9.4264779   0.35815593    1.0027701    1.0027701 
    8700    6.4796483   -9.0676554   0.84568363    1.0138504    1.0027701 
    8800     6.551896   -9.1793668    1.0319947    1.0083102    1.0027701 
    8900    6.1879163   -8.7590749   0.34445309    1.0027701    1.0027701 
    9000    6.2374494   -8.7872159   0.46749314    1.0027701    1.0027701 
    9100    6.3605933   -8.9335681   0.86786624    1.0027701    1.0027701 
    9200    6.4387791   -9.0144583   0.56089061    1.0083102    1.0027701 
    9300    6.2745383   -8.9019836   0.58565081    1.0083102    1.0027701 
    9400    6.1957924   -8.7638279   0.65785826    1.0027701    1.0083102 
    9500     6.079287   -8.6556289   0.47532552    1.0083102    1.0027701 
    9600    6.7679205   -9.3427341   0.48539851    1.0083102    1.0027701 
    9700    6.4007616   -8.9753463   0.58689382    1.0138504    1.0027701 
    9800    6.2137021   -8.7670545   0.80327882    1.0249307    1.0027701 
    9900     6.063559   -8.6359278   0.34977555    1.0083102    1.0027701 
   10000    6.5604562   -9.1417599   0.49589297    1.0083102    1.0027701 
Loop time of 0.469504 on 2 procs for 10000 steps with 361 atoms

Performance: 9201197.252 tau/day, 21299.068 timesteps/s
94.4% CPU use with 2 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.13648    | 0.14553    | 0.15459    |   2.4 | 31.00
Neigh   | 0.13867    | 0.14128    | 0.1439     |   0.7 | 30.09
Comm    | 0.05533    | 0.06494    | 0.07455    |   3.8 | 13.83
Output  | 0.0012147  | 0.0013802  | 0.0015457  |   0.4 |  0.29
Modify  | 0.071393   | 0.071421   | 0.07145    |   0.0 | 15.21
Other   |            | 0.04494    |            |       |  9.57

Nlocal:    180.5 ave 181 max 180 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Nghost:    30 ave 34 max 26 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Neighs:    579.5 ave 644 max 515 min
Histogram: 1 0 0 0 0 0 0 0 0 1

Total # of neighbors = 1159
Ave neighs/atom = 3.21053
Neighbor list builds = 3510
Dangerous builds = 0
Total wall time: 0:00:00
